SCHEMBL687150

SCHEMBL687150

Cc1cn(Cc2ccc(Cl)cc2)c(=O)c2[nH]c(=O)oc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 1/20 0.43
MAPT P10636 4/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
BRD4 O60885 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
VEGFA P15692 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TK1 P04183 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL687818 0.90 TP53 (0.47) MAPTTP53POLBHPGD
SCHEMBL687210 0.86 BRD4 (0.45) MAPTTP53POLBHPGDBRD4
SCHEMBL688445 0.85 HPGD (0.36) HPGDBRD4MEN1KMT2ACYP3A4
SCHEMBL687951 0.84 MEN1 (0.44) HPGDMEN1KMT2ACYP3A4CYP2C19
SCHEMBL687353 0.84 TRPC5 (0.39) TRPC5MAPTTP53POLBHPGD
SCHEMBL687558 0.83 HSP90AA1 (0.39) MAPTTHRBMEN1KMT2A
SCHEMBL687630 0.82 PKM (0.42) MAPTPOLBHPGDCYP3A4CYP2C19
SCHEMBL687901 0.81 MAPK1 (0.44) MAPTBRD4THRBMEN1KMT2A
SCHEMBL687652 0.80 PKM (0.43) MAPTPOLBHPGDCYP3A4CYP2C19
SCHEMBL20546461 0.78 SMN1; SMN2 (0.31) HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US claimed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP claimed
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 TRPC5 2939/4885MAPT 2314/4885TP53 2186/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 TRPC5 3105/4885MAPT 2566/4885TP53 1640/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.